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Federico Lucco Castello

Publications and source records attributed to Federico Lucco Castello.

3 recordsLinked to original sources

Dynamic properties of the warm dense uniform electron gas with the qSTLS dielectric scheme

The recently derived Fourier--Matsubara expansion of imaginary--time correlation functions comprises an exact result of linear response theory for finite-temperature quantum many-body systems. In its density--density version, the expansion facilitates systematic comparisons between quasi-exact \emph{ab initio} path integral Monte Carlo simulations and approximate dielectric formalism schemes at the level of the imaginary--time (density--density) correlation functions and the dynamic Matsubara local field corrections. On this theoretical basis, the dynamic properties of the quantum version of the Singwi--Tosi--Land--Sjölander scheme are analyzed for the paramagnetic warm dense uniform electron gas. The marginal improvement compared to the semi-classical version of the Singwi--Tosi--Land--Sjölander scheme is attributed to the weak Matsubara order dependence of the approximate dynamic Matsubara local field correction. The evaluation of the ideal density response function at the non-interacting occupation numbers is identified to constitute a general deficiency of the dielectric formalism, which calls for a reformulation in future works.

physics.plasm-ph

Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid

The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier thermodynamic derivative error. The VS scheme handles quantum mechanical effects at the level of the random phase approximation and treats correlations via the density expansion of a generalized Singwi-Tosi-Land-Sjölander (STLS) closure that inserts a parameter determined by enforcing the compressibility sum rule. Systematic comparison with quasi-exact results, based on quantum Monte Carlo simulations, reveals a structural superiority of the VS scheme towards strong coupling and a thermodynamic superiority of the STLS scheme courtesy of a favorable cancellation of errors. Guidelines are provided for the construction of dielectric schemes that are expected to be more accurate but computationally costly.

cond-mat.quant-gas

Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids

A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of classical liquids. The self-consistent scheme features a complicated dynamic local field correction functional and its formulation is guided by ab initio path integral Monte Carlo simulations. Remarkably, our scheme is capable to provide unprecedently accurate results for the static structure factor with the exception of the Wigner crystallization vicinity, despite the absence of adjustable or empirical parameters.

cond-mat.stat-mech